1-chloro-4-(2-fluoropent-4-en-2-yl)benzene

C11H12ClF — CID 86040182

IUPAC1-chloro-4-(2-fluoropent-4-en-2-yl)benzene
SMILESC=CCC(C)(F)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClF/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h3-7H,1,8H2,2H3
InChIKeySKMRWEPURVCWKE-UHFFFAOYSA-N
MW198.67 g/mol
LogP4.10
Rot. Bonds3

About 1-chloro-4-(2-fluoropent-4-en-2-yl)benzene

1-chloro-4-(2-fluoropent-4-en-2-yl)benzene (PubChem CID 86040182) has the molecular formula C11H12ClF and a molecular weight of 198.67 g/mol. Its IUPAC name is 1-chloro-4-(2-fluoropent-4-en-2-yl)benzene.

Molecular Properties

Compound Name1-chloro-4-(2-fluoropent-4-en-2-yl)benzene
PubChem CID86040182
Molecular FormulaC11H12ClF
Molecular Weight198.67 g/mol
Exact Mass198.06
IUPAC Name1-chloro-4-(2-fluoropent-4-en-2-yl)benzene
SMILESC=CCC(C)(F)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClF/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h3-7H,1,8H2,2H3
InChIKeySKMRWEPURVCWKE-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-fluoropent-4-en-2-yl)benzene?
The IUPAC name of 1-chloro-4-(2-fluoropent-4-en-2-yl)benzene (CID 86040182) is 1-chloro-4-(2-fluoropent-4-en-2-yl)benzene.
What is the SMILES notation for 1-chloro-4-(2-fluoropent-4-en-2-yl)benzene?
The canonical SMILES for 1-chloro-4-(2-fluoropent-4-en-2-yl)benzene is C=CCC(C)(F)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(2-fluoropent-4-en-2-yl)benzene?
The InChIKey is SKMRWEPURVCWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h3-7H,1,8H2,2H3.
What are the key properties of 1-chloro-4-(2-fluoropent-4-en-2-yl)benzene?
1-chloro-4-(2-fluoropent-4-en-2-yl)benzene has a molecular weight of 198.67 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-fluoropent-4-en-2-yl)benzene is sourced from PubChem (CID 86040182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).